2-[3-[(4-tert-butylphenyl)methyl]phenoxy]ethanoic acid; N-methylpyridine-3-sulfonamide

Systemtic Name: 2-[3-[(4-tert-butylphenyl)methyl]phenoxy]ethanoic acid; N-methylpyridine-3-sulfonamide Openeye Name: 2-[3-[(4-tert-butylphenyl)methyl]phenoxy]acetic acid; N-methylpyridine-3-sulfonamide CAS Name: 2-[3-[(4-tert-butylphenyl)methyl]phenoxy]acetic acid; N-methyl-3-pyridinesulfonamide IUPAC Name: 2-[3-[(4-tert-butylphenyl)methyl]phenoxy]acetic acid; N-methylpyridine-3-sulfonamide Traditional Name: 2-[3-(4-tert-butylbenzyl)phenoxy]acetic acid; N-methylpyridine-3-sulfonamide Formula: C25H30N2O5S MolecularWeight: 470.5811

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CC2=CC(=CC=C2)OCC(=O)O.CNS(=O)(=O)C1=CN=CC=C1

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CC2=CC(=CC=C2)OCC(=O)O.CNS(=O)(=O)C1=CN=CC=C1

InChI

InChI=1S/C19H22O3.C6H8N2O2S/c1-19(2,3)16-9-7-14(8-10-16)11-15-5-4-6-17(12-15)22-13-18(20)21;1-7-11(9,10)6-3-2-4-8-5-6/h4-10,12H,11,13H2,1-3H3,(H,20,21);2-5,7H,1H3